3-chloro-1-(cyclopropylmethylsulfonyl)-4-methylpiperidine

C10H18ClNO2S — CID 102962630

IUPAC3-chloro-1-(cyclopropylmethylsulfonyl)-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)CC2CC2)CC1Cl
InChIInChI=1S/C10H18ClNO2S/c1-8-4-5-12(6-10(8)11)15(13,14)7-9-2-3-9/h8-10H,2-7H2,1H3
InChIKeyUBHLYIMZHHLKST-UHFFFAOYSA-N
MW251.78 g/mol
LogP1.68
Rot. Bonds3

About 3-chloro-1-(cyclopropylmethylsulfonyl)-4-methylpiperidine

3-chloro-1-(cyclopropylmethylsulfonyl)-4-methylpiperidine (PubChem CID 102962630) has the molecular formula C10H18ClNO2S and a molecular weight of 251.78 g/mol. Its IUPAC name is 3-chloro-1-(cyclopropylmethylsulfonyl)-4-methylpiperidine.

Molecular Properties

Compound Name3-chloro-1-(cyclopropylmethylsulfonyl)-4-methylpiperidine
PubChem CID102962630
Molecular FormulaC10H18ClNO2S
Molecular Weight251.78 g/mol
Exact Mass251.07
IUPAC Name3-chloro-1-(cyclopropylmethylsulfonyl)-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)CC2CC2)CC1Cl
InChIInChI=1S/C10H18ClNO2S/c1-8-4-5-12(6-10(8)11)15(13,14)7-9-2-3-9/h8-10H,2-7H2,1H3
InChIKeyUBHLYIMZHHLKST-UHFFFAOYSA-N
XLogP1.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(cyclopropylmethylsulfonyl)-4-methylpiperidine?
The IUPAC name of 3-chloro-1-(cyclopropylmethylsulfonyl)-4-methylpiperidine (CID 102962630) is 3-chloro-1-(cyclopropylmethylsulfonyl)-4-methylpiperidine.
What is the SMILES notation for 3-chloro-1-(cyclopropylmethylsulfonyl)-4-methylpiperidine?
The canonical SMILES for 3-chloro-1-(cyclopropylmethylsulfonyl)-4-methylpiperidine is CC1CCN(S(=O)(=O)CC2CC2)CC1Cl.
What is the InChIKey of 3-chloro-1-(cyclopropylmethylsulfonyl)-4-methylpiperidine?
The InChIKey is UBHLYIMZHHLKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2S/c1-8-4-5-12(6-10(8)11)15(13,14)7-9-2-3-9/h8-10H,2-7H2,1H3.
What are the key properties of 3-chloro-1-(cyclopropylmethylsulfonyl)-4-methylpiperidine?
3-chloro-1-(cyclopropylmethylsulfonyl)-4-methylpiperidine has a molecular weight of 251.78 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(cyclopropylmethylsulfonyl)-4-methylpiperidine is sourced from PubChem (CID 102962630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).